SCHEMBL3403116

SCHEMBL3403116

CC(C)CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.39
MCL1 Q07820 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGER4 P35408 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
GPR35 Q9HC97 1/20 0.33
ADH5 P11766 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3409512 0.90 XDH (0.41) XDHTP53PTGER4LMNAEPHX2
SCHEMBL3409617 0.88 MCL1 (0.41) XDHMCL1AGTR1AGTR2TP53
SCHEMBL3408907 0.88 XDH (0.41) XDHMCL1GPR35
SCHEMBL3405185 0.86 XDH (0.41) XDHMCL1TP53NPC1RAB9A
SCHEMBL3403615 0.84 XDH (0.43) XDHTP53NPC1RAB9ANPSR1
SCHEMBL3407676 0.83 TAS2R14 (0.36) MCL1NPC1RAB9ANR1H4
SCHEMBL3403628 0.83 XDH (0.35) XDHAGTR1AGTR2PTGER4LMNA
SCHEMBL3407823 0.82 ADORA2A (0.39) RAB9ANPSR1LMNA
SCHEMBL3403239 0.82 MLYCD (0.35) XDHAGTR1AGTR2PTGER4LMNA
SCHEMBL3403825 0.81 KDM4E (0.33) NPSR1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 XDH 550/4885MCL1 1061/4885AGTR1 293/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.